3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine

C13H28N2O3S — CID 79613127

IUPAC3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H28N2O3S/c1-4-13(14,5-2)11-18-10-12-7-6-8-15(9-12)19(3,16)17/h12H,4-11,14H2,1-3H3
InChIKeyYNBQAEIYYDENMW-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.19
Rot. Bonds7

About 3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine

3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine (PubChem CID 79613127) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine
PubChem CID79613127
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C13H28N2O3S/c1-4-13(14,5-2)11-18-10-12-7-6-8-15(9-12)19(3,16)17/h12H,4-11,14H2,1-3H3
InChIKeyYNBQAEIYYDENMW-UHFFFAOYSA-N
XLogP1.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]cyclohexyl]methanamine
CID 79609995
N-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]ethanamine
CID 79609993
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methoxy]propan-1-amine
CID 79604534
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclobutan-1-amine
CID 79610235
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine
CID 79611515
4-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]aniline
CID 79604451
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
2-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-1-amine
CID 79621958
3-[(1-methylsulfonylpiperidin-3-yl)methoxy]cyclopentan-1-amine
CID 79610956
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116747630
3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-3-amine
CID 103746760

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine?
The IUPAC name of 3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine (CID 79613127) is 3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine?
The canonical SMILES for 3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine is CCC(N)(CC)COCC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine?
The InChIKey is YNBQAEIYYDENMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-13(14,5-2)11-18-10-12-7-6-8-15(9-12)19(3,16)17/h12H,4-11,14H2,1-3H3.
What are the key properties of 3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine?
3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine has a molecular weight of 292.44 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylsulfonylpiperidin-3-yl)methoxymethyl]pentan-3-amine is sourced from PubChem (CID 79613127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).